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HCID 596118Erstellt: 26. Oktober 2026

2-(5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetic acid

AKOS B000157 · AKOS PAO-0934 · ART-CHEM-BB B000157 · 443-TrifluoroMethyl-5-Methyl-1-pyrazole Acetic acid · (5-METHYL-3-TRIFLUOROMETHYL-PYRAZOL-1-YL)-ACETIC ACID · 5-Methyl-3-(trifluoroMethyl)-1H-pyrazol-1-acetic acid · 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetic acid · 2-[5-methyl-3-(trifluoromethyl)-1-pyrazolyl]acetic acid

https://huagongshe.com/de/chemical/596118

Molekülstruktur von 2-(5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetic acid

Identifikatoren & physikalische Daten

CAS No.345637-71-0
SummenformelC7H7F3N2O2
Durchschnittliche Molmasse208,14 g/mol
Monoisotopische Masse208,04596212 g/mol
SMILESCc1cc(C(F)(F)F)nn1CC(=O)O
InChIKeyRBHQAIFXLJIFFM-UHFFFAOYSA-N
PubChem CID596118
EC No.673-159-2
DTXSIDDTXSID90344349

Chemische & physikalische Eigenschaften

XLogP1,2
Polarare Oberfläche (TPSA)55,1
H-Brücken-Donoren1
H-Brücken-Akzeptoren6
Frei drehbare Bindungen2
Schwere Atome14
Formalladung0
Komplexität231
Siedepunkt292.5±40.0℃ (760 Torr)
Dichte1.48±0.1 g/cm3 (20 ºC 760 Torr)
Flammpunkt130.7±27.3℃
Lagerbedingungen2-8°C
LöslichkeitMethanol (Slightly)
Aggregatzustandcrystalline solid
FarbeWhite to off-white
InChIInChI=1S/C7H7F3N2O2/c1-4-2-5(7(8,9)10)11-12(4)3-6(13)14/h2H,3H2,1H3,(H,13,14)
InChIKeyRBHQAIFXLJIFFM-UHFFFAOYSA-N
SMILESN1(CC(O)=O)C(C)=CC(C(F)(F)F)=N1

Sicherheit & Vorschriften

GHS-EinstufungDangerH301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and CategoriesAcute Tox. 3 (50%)
Zollcode2933199090
R-Sätze (R)25
GefahrensymboleXi,T
Sicherheitshinweise (S)45
GefahrenklasseIRRITANT
2-(5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetic acid｜Huagongshe